Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
SMILES Cc1cccc(n1)Br
InChI Key SOHDPICLICFSOP-UHFFFAOYSA-N
Exact Mass 172.023 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SOHDPICLICFSOP-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/SOHDPICLICFSOP-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:49:51.626790
MetadataModified 2024-09-23T09:20:59.135847
MetadataPublished 2023-11-03
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : CCP-3632

Date : 20231031

Start time : 13.40 h

Instrument : spect

Label : CCP-3461

ID : 273135

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
MCULE-5449488171 Mcule
79205 PubChem
15935062 PubChem: Thomson Pharma
CB5770908 ChemicalBook
ZINC000000396090 ZINC
DTXSID70201229 EPA CompTox Dashboard
J297.999C Nikkaji
507333 eMolecules
5315-25-3 ACToR
SCHEMBL103431 SureChEMBL
The data in this table is sourced from UniChem at EBI.